CID 28705524

2-chloro-1-(4-cyclopropanecarbonylpiperazin-1-yl)ethan-1-one

Structural Information

Molecular Formula
C10H15ClN2O2
SMILES
C1CC1C(=O)N2CCN(CC2)C(=O)CCl
InChI
InChI=1S/C10H15ClN2O2/c11-7-9(14)12-3-5-13(6-4-12)10(15)8-1-2-8/h8H,1-7H2
InChIKey
MXJFVNXNBRKHFW-UHFFFAOYSA-N
Compound name
2-chloro-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

230.0822 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.08948 154.7
[M+Na]+ 253.07142 162.0
[M-H]- 229.07492 158.3
[M+NH4]+ 248.11602 165.7
[M+K]+ 269.04536 157.9
[M+H-H2O]+ 213.07946 146.9
[M+HCOO]- 275.08040 166.9
[M+CH3COO]- 289.09605 190.0
[M+Na-2H]- 251.05687 155.8
[M]+ 230.08165 154.9
[M]- 230.08275 154.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe